Sodium Acetate Trihydrate

Synopsis, Chemistry

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Also known as: 6131-90-4, Acetic acid, sodium salt, trihydrate, Sodium;acetate;trihydrate, Mfcd00071557, Thomaegelin, Acetic acid sodium salt trihydrate

Molecular Formula

C₂H₉NaO₅

Molecular Weight

136.08 g/mol

InChI Key

AYRVGWHSXIMRAB-UHFFFAOYSA-M

FDA UNII

4550K0SC9B

The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.

1 2D Structure

Sodium Acetate Trihydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;acetate;trihydrate

2.1.2 InChI

InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1

2.1.3 InChI Key

AYRVGWHSXIMRAB-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(=O)[O-].O.O.O.[Na+]

2.2 Other Identifiers

2.2.1 UNII

4550K0SC9B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Sodium Acetate

2. Sodium Acetate, Anhydrous

2.3.2 Depositor-Supplied Synonyms

1. 6131-90-4

2. Acetic Acid, Sodium Salt, Trihydrate

3. Sodium;acetate;trihydrate

4. Mfcd00071557

5. Thomaegelin

6. Acetic Acid Sodium Salt Trihydrate

7. 4550k0sc9b

8. Plasmafusin

9. Tutofusin

10. Natrium Acetate-3-wasser

11. Sodium Acetate [usp:jan]

12. Unii-4550k0sc9b

13. Sodium Acetate (tn)

14. Sodium Acetatetrihydrate

15. Sodium Acetate (usp)

16. Acona.3h2o

17. Natriumacetate Trihydrate

18. Sodium Acetate-trihydrate

19. Sodium Acetate. Trihydrate

20. Ch3co2na.3h2o

21. Sodium Acetate [ii]

22. Sodium Acetate [fcc]

23. Sodium Acetate [inci]

24. Sodium Acetate [vandf]

25. Sodium Acetate--water (1/3)

26. Dtxsid2073986

27. Sodium Acetate [usp-rs]

28. Sodium Acetate Hydrate (jp17)

29. Chebi:32138

30. Sodium Acetate, Trihydrate

31. Sodium Acetate [orange Book]

32. Sodium Acetate Hydrate [jan]

33. Sodium Acetate Trihydrate Acs Reagent

34. Akos015904397

35. Sodium Acetate [usp Monograph]

36. Sodium Acetate Trihydrate [mi]

37. Sodium Acetate Trihydrate [usp-rs]

38. Sodium Acetate Trihydrate [who-dd]

39. Ft-0645115

40. D01779

41. Sodium Acetate Trihydrate [ep Monograph]

42. Sodium Acetate Trihydrate Acs Grade With Id Tests

43. Acetic Acid, Sodium Salt, Hydrate (1:1:3)

44. Q27114798

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂H₉NaO₅
Molecular Weight	136.08 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	136.03476767 g/mol
Monoisotopic Mass	136.03476767 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	34.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5